smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O ZINC000100035140 569751740 /nfs/dbraw/zinc/75/17/40/569751740.db2.gz QTTAMQDBAXDTBU-ONWRLUPVSA-N 2 2 483.657 1.858 40 10 JDCBLP CC(C)(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1C[NH2+]CC2=O ZINC000100035107 569751754 /nfs/dbraw/zinc/75/17/54/569751754.db2.gz LLSTUDZYAYCJKB-OFSRWKALSA-N 2 2 483.657 1.904 40 10 JDCBLP